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(Q82782530)
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English
(2S)-6-Methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
group of stereoisomers with the chemical formula C₁₃H₁₇NO
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
203.131014164
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₇NO
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCNC(Cc3ccc(O)cc31)C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC12CCN[C@H](Cc3ccc(O)cc31)C2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H17NO/c1-13-4-5-14-10(8-13)6-9-2-3-11(15)7-12(9)13/h2-3,7,10,14-15H,4-6,8H2,1H3/t10-,13?/m1/s1
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InChIKey
HCDAFLCLXHSYAS-VUUHIHSGSA-N
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CAS Registry Number
62624-77-5
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PubChem CID
71384441
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
44627215
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40806700
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DSSTOX compound identifier
DTXCID20757443
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